Found 5 hits for monomerid = 50243847 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50243847
(CHEMBL4101725)Show SMILES CCCS(=O)(=O)N[C@H]1C[C@@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:7.6,wD:9.11,(18.67,-11.52,;17.33,-12.28,;16,-11.51,;14.66,-12.28,;15.42,-13.61,;13.89,-13.61,;13.33,-11.52,;12,-12.29,;11.61,-13.78,;10.12,-13.4,;10.51,-11.9,;8.79,-14.17,;7.45,-13.4,;8.79,-15.71,;7.46,-16.48,;7.46,-18.02,;8.8,-18.8,;10.14,-18.02,;11.61,-18.48,;12.51,-17.23,;11.59,-15.99,;10.13,-16.47,)| Show InChI InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11- | PDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50243847
(CHEMBL4101725)Show SMILES CCCS(=O)(=O)N[C@H]1C[C@@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:7.6,wD:9.11,(18.67,-11.52,;17.33,-12.28,;16,-11.51,;14.66,-12.28,;15.42,-13.61,;13.89,-13.61,;13.33,-11.52,;12,-12.29,;11.61,-13.78,;10.12,-13.4,;10.51,-11.9,;8.79,-14.17,;7.45,-13.4,;8.79,-15.71,;7.46,-16.48,;7.46,-18.02,;8.8,-18.8,;10.14,-18.02,;11.61,-18.48,;12.51,-17.23,;11.59,-15.99,;10.13,-16.47,)| Show InChI InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 19A1 |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50243847
(CHEMBL4101725)Show SMILES CCCS(=O)(=O)N[C@H]1C[C@@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:7.6,wD:9.11,(18.67,-11.52,;17.33,-12.28,;16,-11.51,;14.66,-12.28,;15.42,-13.61,;13.89,-13.61,;13.33,-11.52,;12,-12.29,;11.61,-13.78,;10.12,-13.4,;10.51,-11.9,;8.79,-14.17,;7.45,-13.4,;8.79,-15.71,;7.46,-16.48,;7.46,-18.02,;8.8,-18.8,;10.14,-18.02,;11.61,-18.48,;12.51,-17.23,;11.59,-15.99,;10.13,-16.47,)| Show InChI InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 572 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50243847
(CHEMBL4101725)Show SMILES CCCS(=O)(=O)N[C@H]1C[C@@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:7.6,wD:9.11,(18.67,-11.52,;17.33,-12.28,;16,-11.51,;14.66,-12.28,;15.42,-13.61,;13.89,-13.61,;13.33,-11.52,;12,-12.29,;11.61,-13.78,;10.12,-13.4,;10.51,-11.9,;8.79,-14.17,;7.45,-13.4,;8.79,-15.71,;7.46,-16.48,;7.46,-18.02,;8.8,-18.8,;10.14,-18.02,;11.61,-18.48,;12.51,-17.23,;11.59,-15.99,;10.13,-16.47,)| Show InChI InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFN... |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50243847
(CHEMBL4101725)Show SMILES CCCS(=O)(=O)N[C@H]1C[C@@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:7.6,wD:9.11,(18.67,-11.52,;17.33,-12.28,;16,-11.51,;14.66,-12.28,;15.42,-13.61,;13.89,-13.61,;13.33,-11.52,;12,-12.29,;11.61,-13.78,;10.12,-13.4,;10.51,-11.9,;8.79,-14.17,;7.45,-13.4,;8.79,-15.71,;7.46,-16.48,;7.46,-18.02,;8.8,-18.8,;10.14,-18.02,;11.61,-18.48,;12.51,-17.23,;11.59,-15.99,;10.13,-16.47,)| Show InChI InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in CD34+ human whole blood assessed as reduction in EOP induced STAT5 phosphorylation preincubated for 45 mins followed by EOP add... |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
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